pentyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: pentyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: pentyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid amyl ester Formula: C26H26N2O8S MolecularWeight: 526.55824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])C

Isomeric SMILES

CCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])C

InChI

InChI=1S/C26H26N2O8S/c1-4-5-8-13-35-26(29)24-16(2)36-25-19-10-7-6-9-18(19)21(15-20(24)25)27-37(32,33)17-11-12-23(34-3)22(14-17)28(30)31/h6-7,9-12,14-15,27H,4-5,8,13H2,1-3H3